⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL48555 | 0.91 | — | — | |
| Bromide SCHEMBL27700910 | 0.87 | — | — | |
| Methane SCHEMBL28046548 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL24204 | 0.87 | — | — | |
| SCHEMBL3343202 | 0.87 | MAN1B1 (0.57) | — | |
| Hydrochloric Acid SCHEMBL27450396 | 0.87 | — | — | |
| Propane SCHEMBL28275452 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL221781 | 0.83 | — | — | |
| Methane SCHEMBL28870704 | 0.83 | — | — | |
| Butane SCHEMBL27911006 | 0.82 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5130309-A | Cardiovascular disorders | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-07-14 | — | — | US | disclosed |